N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide

C19H30N4O — CID 130286662

IUPACN-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide
SMILESCC/C=C(\NC1CCCC(CCC)(NC=O)C1)c1cncc(C)n1
InChIInChI=1S/C19H30N4O/c1-4-7-17(18-13-20-12-15(3)22-18)23-16-8-6-10-19(11-16,9-5-2)21-14-24/h7,12-14,16,23H,4-6,8-11H2,1-3H3,(H,21,24)/b17-7-
InChIKeyOCOYWYRXZPCEEN-IDUWFGFVSA-N
MW330.48 g/mol
LogP3.35
Rot. Bonds8

About N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide

N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide (PubChem CID 130286662) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide
PubChem CID130286662
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide
SMILESCC/C=C(\NC1CCCC(CCC)(NC=O)C1)c1cncc(C)n1
InChIInChI=1S/C19H30N4O/c1-4-7-17(18-13-20-12-15(3)22-18)23-16-8-6-10-19(11-16,9-5-2)21-14-24/h7,12-14,16,23H,4-6,8-11H2,1-3H3,(H,21,24)/b17-7-
InChIKeyOCOYWYRXZPCEEN-IDUWFGFVSA-N
XLogP3.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide?
The IUPAC name of N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide (CID 130286662) is N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide.
What is the SMILES notation for N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide?
The canonical SMILES for N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide is CC/C=C(\NC1CCCC(CCC)(NC=O)C1)c1cncc(C)n1.
What is the InChIKey of N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide?
The InChIKey is OCOYWYRXZPCEEN-IDUWFGFVSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-7-17(18-13-20-12-15(3)22-18)23-16-8-6-10-19(11-16,9-5-2)21-14-24/h7,12-14,16,23H,4-6,8-11H2,1-3H3,(H,21,24)/b17-7-.
What are the key properties of N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide?
N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide has a molecular weight of 330.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-1-(6-methylpyrazin-2-yl)but-1-enyl]amino]-1-propylcyclohexyl]formamide is sourced from PubChem (CID 130286662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).